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CAS No.: | 105806-13-1 |
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Name: | 4,6-DICHLORO-5-FLUORO-2-METHYLPYRIMIDINE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C5H3Cl2FN2 |
Molecular Weight: | 180.997 |
Synonyms: | 2-Methyl-4,6-dichloro-5-fluoropyrimidine;4,6-Dichloro-5-fluoro-2-methylpyrimidine; |
Density: | 1.505 g/cm3 |
Boiling Point: | 220.459 °C at 760 mmHg |
Flash Point: | 87.131 °C |
Appearance: | Yellow power |
PSA: | 25.78000 |
LogP: | 2.23090 |
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The Pyrimidine, 4,6-dichloro-5-fluoro-2-methyl-, with the CAS registry number 105806-13-1, is also known as 2-Methyl-4,6-dichloro-5-fluoropyrimidine. This chemical's molecular formula is C5H3Cl2FN2 and molecular weight is 180.995. What's more, its systematic name is 4,6-dichloro-5-fluoro-2-methylpyrimidine.
Physical properties of Pyrimidine, 4,6-dichloro-5-fluoro-2-methyl- are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/BCF (pH 5.5): 21.88; (5)ACD/KOC (pH 5.5): 316.85; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 25.78 Å2; (10)Index of Refraction: 1.528; (11)Molar Refractivity: 37.04 cm3; (12)Molar Volume: 120.2 cm3; (13)Surface Tension: 45.3 dyne/cm; (14)Density: 1.504 g/cm3; (15)Flash Point: 87.1 °C; (16)Enthalpy of Vaporization: 43.83 kJ/mol; (17)Boiling Point: 220.5 °C at 760 mmHg; (18)Vapour Pressure: 0.167 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(Cl)nc(C)nc1Cl
(2)InChI: InChI=1S/C5H3Cl2FN2/c1-2-9-4(6)3(8)5(7)10-2/h1H3
(3)InChIKey: IWPZWKNMDQSDQP-UHFFFAOYSA-N